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GPCR

NameAdenosine receptor A3
SpeciesOvis aries (Sheep)
GeneADORA3
SynonymN/A
DiseaseN/A for non-human GPCRs
Length317
Amino acid sequenceMPVNSTAVSWTSVTYITVEILIGLCAIVGNVLVIWVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVISLGVTIHFYSCLFMTCLMLIFTHASIMSLLAIAVDRYLRVKLTVRYRRVTTQRRIWLALGLCWLVSFLVGLTPMFGWNMKLSSADENLTFLPCRFRSVMRMDYMVYFSFFLWILVPLVVMCAIYFDIFYIIRNRLSQSFSGSRETGAFYGREFKTAKSLLLVLFLFALCWLPLSIINCILYFDGQVPQTVLYLGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVMCQPSKSMDPSTEQTSE
UniProtP35342
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3309064
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL274022
Molecular formulaC19H23N5O4
IUPAC name2-(hydroxymethyl)-5-[6-(1-phenylpropan-2-ylamino)purin-9-yl]oxolane-3,4-diol
Molecular weight385.424
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.0
Synonyms9-pentofuranosyl-n-(1-phenylpropan-2-yl)-9h-purin-6-amine
HMS2232M21
REGID_for_CID_5022
(R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
BDBM50006730
[ Show all ]
Inchi KeyRIRGCFBBHQEQQH-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)
PubChem CID5022
ChEMBLN/A
IUPHARN/A
BindingDB50006730
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki0.36 nMPMID2067592BindingDB
Ki6.9 nMPMID2067592BindingDB
Ki8.3 nMPMID2067592BindingDB
Ki366.0 nMPMID2067592BindingDB

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